Information card for entry 8105792

Structure parameters

• Formula: C13 H12 N4 O3
• Calculated formula: C13 H12 N4 O3
• Title of publication: The crystal structure of (E)-1-(4-methoxyphenyl)-3-(2-nitrophenyl)triaz-1-ene C8H8N2O4
• Authors of publication: Gao, Dong-Mei; Liu, Lu; Tang, Meng; He, Chunting; Du, Zhen-Ting
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 4
• Pages of publication: 597 - 598
• a: 27.748 ± 0.005 Å
• b: 5.6488 ± 0.001 Å
• c: 16.437 ± 0.003 Å
• α: 90°
• β: 93.393 ± 0.003°
• γ: 90°
• Cell volume: 2571.9 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No